CID 3044828

57774-87-5

Structural Information

Molecular Formula

C₆H₁₃S

SMILES

CC1CCC[S+]1C

InChI

InChI=1S/C6H13S/c1-6-4-3-5-7(6)2/h6H,3-5H2,1-2H3/q+1

InChIKey

GSVFVFKJOAZWRU-UHFFFAOYSA-N

Compound name

1,2-dimethylthiolan-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 117.0738 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	118.08108	122.2
[M+Na]+	140.06302	130.1
[M-H]-	116.06652	126.5
[M+NH4]+	135.10762	147.2
[M+K]+	156.03696	123.9
[M+H-H2O]+	100.07106	120.7
[M+HCOO]-	162.07200	140.0
[M+CH3COO]-	176.08765	162.0
[M+Na-2H]-	138.04847	125.8
[M]+	117.07325	120.1
[M]-	117.07435	120.1

Literature stripe

literature stripe

Patent stripe

patents stripe